SmCuPt2
Alexandria ALEXAlex-ID: agm005778489 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_7187_spg166
Sm3Pt5 Sm15Pt32 Cu
2023-07-11 23:48:32.577554
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778489).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005778489
data_agm005778489
_cell_length_a 5.49390
_cell_length_b 5.49390
_cell_length_c 8.91095
_cell_angle_alpha 72.04522
_cell_angle_beta 72.04520
_cell_angle_gamma 60.00002
_cell_volume 217.66899
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sm1 Sm 0.86066 0.86066 0.41801 1.00000
Sm2 Sm 0.13934 0.13934 0.58199 1.00000
Sm3 Sm 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.66660 0.66660 0.00020 1.00000
Cu2 Cu 0.33340 0.33340 0.99980 1.00000
Cu3 Cu 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.41553 0.41553 0.25030 1.00000
Pt2 Pt 0.91865 0.41553 0.25029 1.00000
Pt3 Pt 0.41553 0.91865 0.25029 1.00000
Pt4 Pt 0.58447 0.58447 0.74970 1.00000
Pt5 Pt 0.58447 0.08135 0.74971 1.00000
Pt6 Pt 0.08135 0.58447 0.74971 1.00000
获取直接链接